6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride

C24H21ClF2N6 — CID 160622241

IUPAC6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
SMILESCc1[nH]nc2nc(-c3cccc(F)c3F)c(C#N)c(-c3ccc(N4CCNCC4)cc3)c12.Cl
InChIInChI=1S/C24H20F2N6.ClH/c1-14-20-21(15-5-7-16(8-6-15)32-11-9-28-10-12-32)18(13-27)23(29-24(20)31-30-14)17-3-2-4-19(25)22(17)26;/h2-8,28H,9-12H2,1H3,(H,29,30,31);1H
InChIKeyPPMWTFAJNZKKNG-UHFFFAOYSA-N
MW466.92 g/mol
LogP4.58
Rot. Bonds3

About 6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride

6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride (PubChem CID 160622241) has the molecular formula C24H21ClF2N6 and a molecular weight of 466.92 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
PubChem CID160622241
Molecular FormulaC24H21ClF2N6
Molecular Weight466.92 g/mol
Exact Mass466.15
IUPAC Name6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
SMILESCc1[nH]nc2nc(-c3cccc(F)c3F)c(C#N)c(-c3ccc(N4CCNCC4)cc3)c12.Cl
InChIInChI=1S/C24H20F2N6.ClH/c1-14-20-21(15-5-7-16(8-6-15)32-11-9-28-10-12-32)18(13-27)23(29-24(20)31-30-14)17-3-2-4-19(25)22(17)26;/h2-8,28H,9-12H2,1H3,(H,29,30,31);1H
InChIKeyPPMWTFAJNZKKNG-UHFFFAOYSA-N
XLogP4.58
TPSA80.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.92
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 162305514
6-(4-hydroxy-2-methylphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 162305633
6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160615693
6-(2-fluoro-4-hydroxyphenyl)-3-(4-phenylphenyl)-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 162312218
6-(2-fluoro-4-nitrophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160983720
4-methyl-3-(4-piperidin-1-ylphenyl)-6-(2,3,6-trifluorophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160808618
3-(furan-2-yl)-4-(4-piperidin-1-ylphenyl)-6-(2,3,6-trifluorophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 159104184
3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 132530624
3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 161334615
6-(2H-benzotriazol-5-yl)-4-(4-piperazin-1-ylphenyl)-3-thiophen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 162323656
3-(furan-2-yl)-6-(2-methylfuran-3-yl)-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160922369
1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine
CID 88933067

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride?
The IUPAC name of 6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride (CID 160622241) is 6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride.
What is the SMILES notation for 6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride?
The canonical SMILES for 6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride is Cc1[nH]nc2nc(-c3cccc(F)c3F)c(C#N)c(-c3ccc(N4CCNCC4)cc3)c12.Cl.
What is the InChIKey of 6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride?
The InChIKey is PPMWTFAJNZKKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6.ClH/c1-14-20-21(15-5-7-16(8-6-15)32-11-9-28-10-12-32)18(13-27)23(29-24(20)31-30-14)17-3-2-4-19(25)22(17)26;/h2-8,28H,9-12H2,1H3,(H,29,30,31);1H.
What are the key properties of 6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride?
6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride has a molecular weight of 466.92 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride is sourced from PubChem (CID 160622241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).